5-[4-(4-chloranyl-3-methyl-phenoxy)butyl]-3-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde

Systemtic Name: 5-[4-(4-chloranyl-3-methyl-phenoxy)butyl]-3-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Openeye Name: 5-[4-(4-chloro-3-methyl-phenoxy)butyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde CAS Name: 5-[4-(4-chloro-3-methylphenoxy)butyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxaldehyde IUPAC Name: 5-[4-(4-chloro-3-methylphenoxy)butyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Traditional Name: 5-[4-(4-chloro-3-methyl-phenoxy)butyl]-4-keto-3-methyl-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2N(C1=O)CCCCOC3=CC(=C(C=C3)Cl)C)C=O

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCCCOC3=CC(=C(C=C3)Cl)C)C=O

InChI

InChI=1S/C22H25ClN2O3/c1-16-13-18(9-10-19(16)23)28-12-6-5-11-25-21-8-4-3-7-20(21)24(15-26)14-17(2)22(25)27/h3-4,7-10,13,15,17H,5-6,11-12,14H2,1-2H3